8EYS

X-ray crystal structure of salmonella typhimurium Tryptophan synthase internal aldimine at pH 5.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	2022-09-06
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	184.659, 61.810, 67.733
Unit cell angles	90.00, 94.74, 90.00

Refinement procedure

Resolution	16.540 - 2.200
Rwork	0.163
R-free	0.19730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bks
Data reduction software	CrysalisPro
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.580	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.110
Number of reflections	37370	5337
<I/σ(I)>	11.6
Completeness [%]	96.5
Redundancy	6.9
CC(1/2)	0.997	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	295	50 mM Bicine pH 7.8, 1 mM EDTA, 0.2 mM PLP, 2 mM spermine, and 6% PEG 8000; acidified with sodium acetate pH 5.0